SCHEMBL29498352

SCHEMBL29498352

COc1ccc(C2NCCc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 1.00
PRCP P42785 5/20 0.69
GAA P10253 1/20 0.66
RECQL P46063 1/20 0.65
KDM1A O60341 2/20 0.63
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MAOA P21397 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22728762 1.00 GID4 (1.00) GID4PRCPGAARECQLKDM1A
SCHEMBL3065108 1.00 GID4 (1.00) GID4PRCPGAARECQLKDM1A
SCHEMBL31374605 0.84 GID4 (0.72) GID4PRCPGAARECQLKDM1A
SCHEMBL11104965 0.84 GID4 (0.72) GID4PRCPGAARECQLKDM1A
SCHEMBL15033501 0.84 GID4 (0.72) GID4PRCPGAARECQLKDM1A
Hydrochloric Acid SCHEMBL11849546 0.82 GID4 (0.70) GID4PRCPGAARECQLKDM1A
SCHEMBL22728763 0.82 PRCP (1.00) GID4PRCPGAARECQLKDM1A
SCHEMBL30973183 0.82 PRCP (1.00) GID4PRCPGAARECQLKDM1A
SCHEMBL7214001 0.82 PRCP (1.00) GID4PRCPGAARECQLKDM1A
SCHEMBL28277290 0.82 PRCP (1.00) GID4PRCPGAARECQLKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146154-A Method for synergistic catalysis of selective oxidative dehydrogenation of tetrahydroisoquinoline 西安石油大学 2024-06-07 CN disclosed
CN-114195713-B Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 广东众源药业有限公司 2023-11-17 CN disclosed
CN-111303145-B Small molecule fluorescent probe and application thereof in chromosome analysis and cytogenetics 陈斯杰 2023-02-28 CN disclosed
CN-114195713-A Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 西安石油大学 2022-03-18 CN disclosed